(E)-3-(3-nitrophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-nitrophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-2-[6-(trifluoromethyl)-1-benzotriazolyl]-2-propenenitrile IUPAC Name: (E)-3-(3-nitrophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]prop-2-enenitrile Traditional Name: (E)-3-(3-nitrophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]acrylonitrile Formula: C16H8F3N5O2 MolecularWeight: 359.26223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)N2C3=C(C=CC(=C3)C(F)(F)F)N=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C#N)/N2C3=C(C=CC(=C3)C(F)(F)F)N=N2

InChI

InChI=1S/C16H8F3N5O2/c17-16(18,19)11-4-5-14-15(8-11)23(22-21-14)13(9-20)7-10-2-1-3-12(6-10)24(25)26/h1-8H/b13-7+